2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline

C14H16Cl2N2 — CID 66400502

IUPAC2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H16Cl2N2/c1-2-7-18-8-6-11(10-18)9-17-13-5-3-4-12(15)14(13)16/h3-6,8,10,17H,2,7,9H2,1H3
InChIKeyLYHSHKXKOLBRFC-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.82
Rot. Bonds5

About 2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline

2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline (PubChem CID 66400502) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
PubChem CID66400502
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H16Cl2N2/c1-2-7-18-8-6-11(10-18)9-17-13-5-3-4-12(15)14(13)16/h3-6,8,10,17H,2,7,9H2,1H3
InChIKeyLYHSHKXKOLBRFC-UHFFFAOYSA-N
XLogP4.82
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399461
N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
CID 66414174
3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399850
4-chloro-2-methoxy-5-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66398156
N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine
CID 66397773
2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28774430
2-methoxy-N-[(1-propylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66416306
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66414540
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]but-3-yn-2-amine
CID 66415006
5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399856
3-chloro-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66397516
4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399039

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline (CID 66400502) is 2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline is CCCn1ccc(CNc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The InChIKey is LYHSHKXKOLBRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-2-7-18-8-6-11(10-18)9-17-13-5-3-4-12(15)14(13)16/h3-6,8,10,17H,2,7,9H2,1H3.
What are the key properties of 2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline?
2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline has a molecular weight of 283.20 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 66400502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).